3-Amino-4-(3-methoxyphenyl)butanoic acid supplier

Name
3-AMINO-4-(3-METHOXYPHENYL)BUTANOIC ACID
EINECS
CAS No. 166194-73-6
Density 1.175 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₅NO₃
Boiling Point 370.5 °C at 760 mmHg
Molecular Weight 209.24
Flash Point 177.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoicacid, b-amino-3-methoxy-, (?à)-;3-Amino-4-(3-methoxyphenyl)butanoic acid;
PSA 72.55000
LogP 1.74000

3-Amino-4-(3-methoxyphenyl)butanoic acid Specification

The systematic name of 3-Amino-4-(3-methoxyphenyl)butanoic acid is benzenebutanoic acid, beta-amino-3-methoxy-. With the CAS registry number 166194-73-6, it is also named as Benzenebutanoic acid, b-amino-3-methoxy-. The product's category is API intermediates. In addition, its molecular formula is C₁₁H₁₅NO₃ and its molecular weight is 209.24.

The other characteristics of 3-Amino-4-(3-methoxyphenyl)butanoic acid can be summarized as: (1)Nominal mass: 209; (2)Average mass: 209.2417; (3)Monoisotopic mass: 209.105193; (4)ACD/LogP: 1.25; (5)# of Rule of 5 Violations: 0; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 4; (11)H bond donors: 3; (12)Freely Rotating Bonds: 6; (13)Polar Surface Area: 72.55 Å²; (14)Index of Refraction: 1.551; (15)Molar Refractivity: 56.8 cm³; (16)Molar Volume: 177.9 cm³; (17)Polarizability: 22.51×10^-24cm³; (18)Surface Tension: 47.9 dyne/cm; (19)Density: 1.175 g/cm³; (20)Flash Point: 177.9 °C; (21)Enthalpy of Vaporization: 65.14 kJ/mol; (22)Boiling Point: 370.5 °C at 760 mmHg; (23)Vapour Pressure: 3.81E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:COc1cccc(c1)CC(CC(=O)O)N
InChI:InChI=1/C11H15NO3/c1-15-10-4-2-3-8(6-10)5-9(12)7-11(13)14/h2-4,6,9H,5,7,12H2,1H3,(H,13,14)
InChIKey:UIMAQFUSTFNVPJ-UHFFFAOYAU
Std. InChI:InChI=1S/C11H15NO3/c1-15-10-4-2-3-8(6-10)5-9(12)7-11(13)14/h2-4,6,9H,5,7,12H2,1H3,(H,13,14)
Std. InChIKey:UIMAQFUSTFNVPJ-UHFFFAOYSA-N

Product Name

3-AMINO-4-(3-METHOXYPHENYL)BUTANOIC ACID

3-Amino-4-(3-methoxyphenyl)butanoic acid Specification

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